2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole

C11H16N4O2S2 — CID 53151874

IUPAC2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2c(S(=O)(=O)N3CCCCC3)c(C)nc2s1
InChIInChI=1S/C11H16N4O2S2/c1-8-10(15-11(12-8)18-9(2)13-15)19(16,17)14-6-4-3-5-7-14/h3-7H2,1-2H3
InChIKeyTXHLMNLRIQPPAP-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.58
Rot. Bonds2

About 2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole

2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 53151874) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID53151874
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2c(S(=O)(=O)N3CCCCC3)c(C)nc2s1
InChIInChI=1S/C11H16N4O2S2/c1-8-10(15-11(12-8)18-9(2)13-15)19(16,17)14-6-4-3-5-7-14/h3-7H2,1-2H3
InChIKeyTXHLMNLRIQPPAP-UHFFFAOYSA-N
XLogP1.58
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole (CID 53151874) is 2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2c(S(=O)(=O)N3CCCCC3)c(C)nc2s1.
What is the InChIKey of 2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is TXHLMNLRIQPPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-8-10(15-11(12-8)18-9(2)13-15)19(16,17)14-6-4-3-5-7-14/h3-7H2,1-2H3.
What are the key properties of 2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole?
2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 300.41 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 53151874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).